4-nitro-2-thiophen-2-ylcarbonyl-benzoic acid

Systemtic Name: 4-nitro-2-thiophen-2-ylcarbonyl-benzoic acid Openeye Name: 4-nitro-2-(thiophene-2-carbonyl)benzoic acid CAS Name: 4-nitro-2-[oxo(thiophen-2-yl)methyl]benzoic acid IUPAC Name: 4-nitro-2-(thiophene-2-carbonyl)benzoic acid Traditional Name: 4-nitro-2-(2-thenoyl)benzoic acid Formula: C12H7NO5S MolecularWeight: 277.25268

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CSC(=C1)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C12H7NO5S/c14-11(10-2-1-5-19-10)9-6-7(13(17)18)3-4-8(9)12(15)16/h1-6H,(H,15,16)